Reduction of systematic uncertainty in DFT redox potentials of transition-metal complexes

Journal of Physical Chemistry C

Volumn 116, Issue 10, 2012, Pages 6349-6356

  Konezny, Steven J ^a   Doherty, Mark D ^b   Luca, Oana R ^a   Crabtree, Robert H ^a   Soloveichik, Grigorii L ^b   Batista, Victor S ^a  

^a YALE UNIVERSITY   (United States)

^b GE GLOBAL RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLACETONATES; BIPYRIDINES; CATALYTIC MECHANISMS; CYCLOPENTADIENYLS; ELECTROCHEMICAL MEASUREMENTS; EXPERIMENTAL CONDITIONS; EXPERIMENTAL DATA; EXPERIMENTAL ERRORS; NON-AQUEOUS SOLVENTS; PENTAMETHYLCYCLOPENTADIENYL; REDOX COUPLE; REDOX POTENTIALS; REDOX PROPERTY; STANDARD DEVIATION; SYSTEMATIC UNCERTAINTIES; THEORETICAL PREDICTION; TRANSITION-METAL COMPLEX; VOLTAMMETRY MEASUREMENTS; WORKING ELECTRODE;

CYCLIC VOLTAMMETRY; DICHLOROMETHANE; DIMETHYL SULFOXIDE; ELECTROCATALYSTS; IRIDIUM; ORGANIC SOLVENTS; OSMIUM; REDOX REACTIONS; SOLVENTS; TRANSITION METALS;

METAL COMPLEXES;

EID: 84858321474     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp300485t     Document Type: Article

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